[(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol

C13H20N2O2 — CID 638637

IUPAC[(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol
SMILESCOc1cccc([C@@H]2C[C@H](CO)CN(C)C2)n1
InChIInChI=1S/C13H20N2O2/c1-15-7-10(9-16)6-11(8-15)12-4-3-5-13(14-12)17-2/h3-5,10-11,16H,6-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyIGKQRFQWPBYAKH-WDEREUQCSA-N
MW236.31 g/mol
LogP1.12
Rot. Bonds3

About [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol

[(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol (PubChem CID 638637) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol
PubChem CID638637
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol
SMILESCOc1cccc([C@@H]2C[C@H](CO)CN(C)C2)n1
InChIInChI=1S/C13H20N2O2/c1-15-7-10(9-16)6-11(8-15)12-4-3-5-13(14-12)17-2/h3-5,10-11,16H,6-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyIGKQRFQWPBYAKH-WDEREUQCSA-N
XLogP1.12
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6'-Methoxy-2,3'-bipyridyl
CID 10899365
2-[[(2-Hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971339
2-[[Cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971341
4-(6-Methoxy-2-pyridinyl)-2-[(3-methylpiperidin-1-yl)methyl]phenol
CID 135971343
2-[(4-Benzylpiperidin-1-yl)methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971358
4-(6-Methoxy-2-pyridinyl)-2-[(4-methylpiperidin-1-yl)methyl]phenol
CID 135971361
2-[[Butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971367
4-(6-Methoxy-2-pyridinyl)-2-(piperidin-1-ylmethyl)phenol
CID 135971371
2-[[2-Methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl-methylamino]ethanol
CID 166626686
3-[[2-Methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]propan-1-ol
CID 166632561
(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol
CID 166635513
[2,6-Diisopropyl-4-(3-methoxy-phenyl)-5-pentyl-pyridin-3-yl]-methanol
CID 22005048

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol (CID 638637) is [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol is COc1cccc([C@@H]2C[C@H](CO)CN(C)C2)n1.
What is the InChIKey of [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol?
The InChIKey is IGKQRFQWPBYAKH-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-7-10(9-16)6-11(8-15)12-4-3-5-13(14-12)17-2/h3-5,10-11,16H,6-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol?
[(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-(6-methoxy-2-pyridinyl)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 638637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).